轴上吡啶配位的含酰胺基的新型Cu(Ⅱ)和Fe(Ⅲ)配合物的合成及性能研究

本文合成了二种新的铜(Ⅱ)和铁(Ⅲ)配合物,Na_2[Cu(CHBen)(Py)_2]·H_2O和Na[Fe(CHBen)(Py)_2](CHBenH_4:N,N′-双-(3,5-二氯-2-羟基苯酰)-乙二胺;Py:吡啶)。经元素分析,红外,电子光谱,电导,磁矩及顺磁共振谱(ESR)等测定已推定二配合物中Cu(Ⅱ)和Fe(Ⅲ)的配位环境均为畸变八面体,Fe(Ⅲ)为高自旋态。文中指派了Na_2[Cu(CHBen)(Py)_2]·H_2O的d-d带归属,并对其ESR谱及有效磁矩进行了讨论。     

一种含Pr(Ⅲ)配合物的合成、晶体结构及光物理性能研究

采用水热方法合成了1种Pr(Ⅲ)配合物,[Pr(2,5-pdc)(Ac)(H2O)·2H2O]n(2,5-pdc=2,5-吡啶二羧酸根),通过X射线衍射确定了配合物的晶体结构.结果表明,该配合物为单斜晶系,P2(1)/c空间群.在配合物中,Pr(Ⅲ)离子是9配位的,通过醋酸根和2,5-吡啶二羧酸根将配合物连成3D网状结构.室温下测定了配合物晶体粉末的IR光谱,UV-Vis-NIR光谱以及可见区和近红外区的发射光谱.重点研究配合物的发光性能,该配合物在近红外区表现出Pr(Ⅲ)离子的特征发射带,与Pr(Ⅲ)离子的理论发射带相比发生了红移和劈裂现象,可以从配合物的UV-Vis-NIR吸收光谱中得到佐证.     

稀土色氨酸固态配合物的光声光谱研究

合成了Tb(Trp) 3Cl3·H2 O、Dy(Trp) 3Cl3·H2 O和Ho(Trp) 3Cl3·H2 O固态配合物 ,在30 0～ 80 0nm测定并解释了配合物的光声光谱 ,从无辐射跃迁角度研究色氨酸固态配合物的能级状况和分子内能量传递过程 ,结合荧光光谱研究了色氨酸固态配合物的发光特性 ,结果表明固态配合物中色氨酸配体可有效敏化Tb3+离子的发光 ,而由于热去几率速率增大导致配体向Dy3+的能量传递效率降低 .首次将相位分辨光声分析法用于Ho(Trp) 3Cl3·H2 O配合物的谱峰解析 ,通过光声谱同相和正交相信号可以计算配体光声吸收的位相为 10 6° ,位相改变 90°后就得到仅与Ho3+相关的光声光谱 .相位分辨光声光谱法不受谱峰的形状和重叠程度的限制 ,仅与不同吸收中心产生的位相有关     

二茂铁基氨基醇汞(Ⅱ)配合物的合成与表征

合成了3种二茂铁基氨基醇2-羟基-2-二茂铁基丙胺(FcM)、2-羟基-2-对甲氧苯基-2-二茂铁基乙胺(Fcp-MOB)、2-羟基-2-对氯苯基-2-二茂铁基乙胺(Fcp-CIB),使之分别与氯化汞反应,生成3种新型汞(Ⅱ)配合物Hg(FcM)Cl2、Hg(Fcp-MOB)Cl2、Hg(Fcp-ClB)Cl2．通过元素分析、红外光谱、核磁共振氢谱、差热-热重分析和摩尔电导,对新配合物的组成、结构和性质进行了表征,并初步确定了配合物的结构．     

稀土配合物RE(pic)_3L的合成、荧光性质及与ct-DNA的作用方式

合成了4种N,N-乙基,苯基-N’-苯基-1,1’-联萘-2,2’-二(氧杂乙酰胺)(L)稀土配合物.通过元素分析、红外光谱、紫外光谱、差热-热重和摩尔电导率的分析,确定配合物的组成为RE(pic)3L[RE=La(Ⅲ),Eu(Ⅲ),Tb(Ⅲ),Ce(Ⅲ)],稀土离子的配位数为10,其在CH3OH溶液中属于非电解质.该系列配合物的荧光光谱表明,Eu(Ⅲ)配合物的荧光强度远大于Tb(Ⅲ)配合物,说明配体L的三重态能级与Eu3+的激发态能级匹配较好.通过紫外光谱、荧光光谱和黏度法对配合物与ct-DNA之间的作用方式进行了初步研究,结果表明,配合物与ct-DNA之间存在着插入作用.     

二氯化二(2-氨基甲基吡啶)(二水)合镍的晶体结构表征及其与瓜环的主客体相互作用

以氯化镍与2-氨基甲基吡啶反应合成了配合物二氯化二(2-氨基甲基吡啶)(二水)合镍([Ni(2-ampy)2·(H2O)2]·Cl2).利用IR光谱、X-射线单晶衍射技术对其结构进行表征.通过荧光光谱研究了配合物与六、七、八元瓜环的相互作用.结果表明六、七、八元瓜环与配合物形成包结比为1:1的配合物.稳定常数为103数量级.     

镧系(Ⅲ)-1-氨基乙酸-2,2′-联吡啶固态配合物的合成及研究

本文报导了镧系(Ⅲ)离子与1-氨基乙酸及2,2′-联吡啶反应所形成的固态三元配合物,通式为 Ln(Gly)_3(dip)_2Cl_3·H_2O(Ln 代表镧系离子,Gly 代表1-氨基乙酸,dip 为2,2′-联吡啶).考察了这些配合物的红外光谱、荧光谱光、热谱,比较了 x-射线粉末衍射及元素分析数据,确定了配合物的组成.     

“栅栏”型卟啉铁（Ⅱ）,钴（Ⅱ）配合物的轴向配位性能

以可见一紫外分光光度法测定“栅栏”型卟啉铁(Ⅱ)、钴(Ⅲ)与某些含氮配体作用的平衡常进,以红外光谱法测定它们的羰基配合物的C—O振动频率。结果表明:卟啉铁(Ⅱ)与含氮配体的平衡常数既与配体的碱性有关,也与配体的空间位阻有关;卟啉铁(Ⅱ)与配体的平衡常数大于卟啉钴(Ⅲ)。     

钐和钆与亚甲基双膦酸四异丙基酯及邻菲哕啉固体配合物的合成和表征

分别以氯化钐和氯化钆与亚甲基双膦酸四异丙基酯(L)和邻菲哕啉(phen)合成了四种固体稀土配合物SmL2Cl3(H2∶O)5(Ⅰ)、Gd2L3Cl6(H2O)6(Ⅱ)、Sm2L3(phen)2Cl6(H2O)10(Ⅲ)和Gd2L3(phen)2Cl6(H2O)4(Ⅳ).用元素分析、TG-DTA分析、红外光谱、1H与31P核磁共振谱和荧光光谱对配合物的组成、结构和光谱性质进行了表征.     

Bi(Ⅲ)-水杨醛肟配合物极谱吸附波的研究及其应用

用线性扫描伏安法研究了Bi(Ⅲ)-水杨醛肟(简称HSAO)体系在不同缓冲溶液中的极谱行为,实验表明在0.025mol-L-1NH3-NH4Cl(pH8.0)缓冲溶液中,Bi(Ⅲ)与水杨醛肟形成的配合物于-0.82V(vs.SCE)处产生一灵敏的还原波.二阶导数波峰电流与Bi(Ⅲ)浓度在3.0×10-8mol-L-1～5.0×10-6mol-L-1范围内呈良好的线性关系,检测下限为2.0×10-8mol-L-1,测得电活性配合物组成为Bi(Ⅲ):HSAO=1:1.探讨了电极反应过程的机理.     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Characterization of Ordovician carbonate reservoirs, southeastern Saskatchewan, Canada

The discovery of the prolific Ordovician Red River reservoirs in 1995 in southeastern Saskatchewan was the catalyst for extensive exploration activity which resulted in the discovery of more than 15 new Red River pools. The best yields of Red River production to date have been from dolomite reservoirs. Understanding the processes of dolomitization is, therefore, crucial for the prediction of the connectivity, spatial distribution and heterogeneity of dolomite reservoirs.The Red River reservoirs in the Midale area consist of 3～4 thin dolomitized zones, with a total thickness of about 20 m, which occur at the top of the Yeoman Formation. Two types of replacement dolomite were recognized in the Red River reservoir: dolomitized burrow infills and dolomitized host matrix. The spatial distribution of dolomite suggests that burrowing organisms played an important role in facilitating the fluid flow in the backfilled sediments. This resulted in penecontemporaneous dolomitization of burrow infills by normal seawater. The dolomite in the host matrix is interpreted as having occurred at shallow burial by evaporitic seawater during precipitation of Lake Almar anhydrite that immediately overlies the Yeoman Formation. However, the low δ18O values of dolomited burrow infills (-5.9‰～ -7.8‰, PDB) and matrix dolomites (-6.6‰～ -8.1‰, avg. -7.4‰ PDB) compared to the estimated values for the late Ordovician marine dolomite could be attributed to modification and alteration of dolomite at higher temperatures during deeper burial, which could also be responsible for its 87Sr/86Sr ratios (0.7084～0.7088) that are higher than suggested for the late Ordovician seawaters (0.7078～0.7080). The trace amounts of saddle dolomite cement in the Red River carbonates are probably related to "cannibalization" of earlier replacement dolomite during the chemical compaction.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

A computer generator for randomly layered structures

AcomputergeneratorforrandomlylayeredstructuresYUJia shun1,2,HEZhen hua2(1.TheInstituteofGeologicalandNuclearSciences,NewZealand;2.StateKeyLaboratoryofOilandGasReservoirGeologyandExploitation,ChengduUniversityofTechnology,China)Abstract:Analgorithmisintrod…     

An Index mechanism for multi-scale view in spatial databases

There are numerous geometric objects stored in the spatial databases. An importance function in a spatial database is that users can browse the geometric objects as a map efficiently. Thus the spatial database should display the geometric objects users concern about swiftly onto the display window. This process includes two operations:retrieve data from database and then draw them onto screen. Accordingly, to improve the efficiency, we should try to reduce time of both retrieving object and displaying them. The former can be achieved with the aid of spatial index such as R-tree, the latter require to simplify the objects. Simplification means that objects are shown with sufficient but not with unnecessary detail which depend on the scale of browse. So the major problem is how to retrieve data at different detail level efficiently. This paper introduces the implementation of a multi-scale index in the spatial database SISP (Spatial Information Shared Platform) which is generalized from R-tree. The difference between the generalization and the R-tree lies on two facets: One is that every node and geometric object in the generalization is assigned with a importance value which denote the importance of them, and every vertex in the objects are assigned with a importance value,too. The importance value can be use to decide which data should be retrieve from disk in a query. The other difference is that geometric objects in the generalization are divided into one or more sub-blocks, and vertexes are total ordered by their importance value. With the help of the generalized R-tree, one can easily retrieve data at different detail levels.Some experiments are performed on real-life data to evaluate the performance of solutions that separately use normal spatial index and multi-scale spatial index. The results show that the solution using multi-scale index in SISP is satisfying.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that     

On the Thermodynamic Limit for Responses to Static Electromagnetic Fields

For molecular systems,the quantum-mechanical treatment of their responses to static electromagnetic fields usually employs a scalar-potential treatment of the electric field and a vector-potential treatment of the magnetic field.Although the potential for each field separately is associated with the choice of an(unphysical)origin,the precise choice of the origin for the electrostatic field has little consequences for the results.This is different for the